[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanethione

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanethione Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanethione CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanethione IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanethione Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-methoxyphenyl)methanethione Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c1-28-23-15-9-8-14-22(23)25(29)27-18-16-26(17-19-27)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24H,16-19H2,1H3/p+1